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Story Highlights

Supercomputer simulations have revealed for the first time how the cell's mitochondrial voltage-dependent anion channel (VDAC) binds to the enzyme hexokinase-II (HKII).

XSEDE awarded supercomputer allocation on TACC's Stampede2 and Ranch systems for molecular dynamics simulations of the 700,000 atom VDAC-HKII complex.

Basic research in how proteins interact out of the mitochondria will help researchers understand the molecular basis of diseases such as cancer.


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